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CS-W001157 4
Total: USD 88.00

2-(Trifluoromethyl)-4H-benzo[d][1,3]oxazin-4-one

  • CAS No. 16062-71-8

  • Cat. No. CS-0328613
  • Molecule weight215.13
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

2-(Trifluoromethyl)-4H-benzo[d][1,3]oxazin-4-one|CS-0328613

Structure of 16062-71-8

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General Information

  • CAS No. 16062-71-8
  • Cat. No. CS-0328613
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₄F₃NO₂
  • Molecular Weight 215.13
  • Synonym(s) 2-(trifluoromethyl)-4H-3,1-benzoxazin-4-one
  • SMILES C1=CC=C2C(=C1)C(=O)OC(=N2)C(F)(F)F

Synthesis

  • Route1
    • null|null
      118-92-3
    • ~97%
    • 2-(Trifluoromethyl)-4H-benzo[d][1,3]oxazin-4-one|CS-0328613
      16062-71-8

    References

    • Signal Pharmaceuticals, Inc. Patent: US5939421 A1, 1999 ;
  • Route2
    • null|null
      201230-82-2
    • null|null
      615-36-1
    • null|null
      407-25-0
    • ~71%
    • 2-(Trifluoromethyl)-4H-benzo[d][1,3]oxazin-4-one|CS-0328613
      16062-71-8

    References

    • Wu, Xiao-Feng; Neumann, Helfried; Beller, Matthias Chemistry - A European Journal, 2012 , vol. 18, # 40 p. 12599 - 12602
  • Route3
    • 2-[(2,2,2-Trifluoroacetyl)amino]benzoic acid|CS-0713920
      19165-29-8
    • ~%
    • 2-(Trifluoromethyl)-4H-benzo[d][1,3]oxazin-4-one|CS-0328613
      16062-71-8

    References

    • Palanki, Moorthy S. S.; Erdman, Paul E.; Ren, Minghuan; Suto, Mark; Bennett, Brydon L.; Manning, Anthony; Ransone, Lynn; Spooner, Cheryl; Desai, Sonal; Ow, Arnie; Totsuka, Ryuichi; Tsao, Peter; Toriumi, Wataru Bioorganic and Medicinal Chemistry Letters, 2003 , vol. 13, # 22 p. 4077 - 4080

Safety Information

Download SDS
GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   43.1
  • LogP   2.2068
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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